7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine

C34H25F2N3OS — CID 169134114

IUPAC7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
SMILESFc1ccc(-c2c(-c3ccccc3)nc(-c3ccc4c(c3)CCNC4)c3ccsc23)c(OCc2ncccc2F)c1
InChIInChI=1S/C34H25F2N3OS/c35-25-10-11-26(30(18-25)40-20-29-28(36)7-4-14-38-29)31-33(21-5-2-1-3-6-21)39-32(27-13-16-41-34(27)31)23-8-9-24-19-37-15-12-22(24)17-23/h1-11,13-14,16-18,37H,12,15,19-20H2
InChIKeyJCWDQWOJOPXCDB-UHFFFAOYSA-N
MW561.66 g/mol
LogP8.20
Rot. Bonds6

About 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine

7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine (PubChem CID 169134114) has the molecular formula C34H25F2N3OS and a molecular weight of 561.66 g/mol. Its IUPAC name is 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
PubChem CID169134114
Molecular FormulaC34H25F2N3OS
Molecular Weight561.66 g/mol
Exact Mass561.17
IUPAC Name7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
SMILESFc1ccc(-c2c(-c3ccccc3)nc(-c3ccc4c(c3)CCNC4)c3ccsc23)c(OCc2ncccc2F)c1
InChIInChI=1S/C34H25F2N3OS/c35-25-10-11-26(30(18-25)40-20-29-28(36)7-4-14-38-29)31-33(21-5-2-1-3-6-21)39-32(27-13-16-41-34(27)31)23-8-9-24-19-37-15-12-22(24)17-23/h1-11,13-14,16-18,37H,12,15,19-20H2
InChIKeyJCWDQWOJOPXCDB-UHFFFAOYSA-N
XLogP8.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.66
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
The IUPAC name of 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine (CID 169134114) is 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine.
What is the SMILES notation for 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
The canonical SMILES for 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine is Fc1ccc(-c2c(-c3ccccc3)nc(-c3ccc4c(c3)CCNC4)c3ccsc23)c(OCc2ncccc2F)c1.
What is the InChIKey of 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
The InChIKey is JCWDQWOJOPXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F2N3OS/c35-25-10-11-26(30(18-25)40-20-29-28(36)7-4-14-38-29)31-33(21-5-2-1-3-6-21)39-32(27-13-16-41-34(27)31)23-8-9-24-19-37-15-12-22(24)17-23/h1-11,13-14,16-18,37H,12,15,19-20H2.
What are the key properties of 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine?
7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine has a molecular weight of 561.66 g/mol, XLogP of 8.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-fluoro-2-[(3-fluoro-2-pyridinyl)methoxy]phenyl]-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 169134114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).